N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine

C7H11NO2 — CID 96732982

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
SMILESCc1occc1CN(C)O
InChIInChI=1S/C7H11NO2/c1-6-7(3-4-10-6)5-8(2)9/h3-4,9H,5H2,1-2H3
InChIKeyBYVWBXXYLHRDMR-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.41
Rot. Bonds2

About N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine

N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine (PubChem CID 96732982) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
PubChem CID96732982
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
SMILESCc1occc1CN(C)O
InChIInChI=1S/C7H11NO2/c1-6-7(3-4-10-6)5-8(2)9/h3-4,9H,5H2,1-2H3
InChIKeyBYVWBXXYLHRDMR-UHFFFAOYSA-N
XLogP1.41
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine (CID 96732982) is N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine is Cc1occc1CN(C)O.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine?
The InChIKey is BYVWBXXYLHRDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-7(3-4-10-6)5-8(2)9/h3-4,9H,5H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine?
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine has a molecular weight of 141.17 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 96732982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).